{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 6.01609 5.61299 5.363165 5.181654 5.039008 4.921484 4.821545 4.734605 4.657671 4.588674 4.526128 4.468931 4.416238 4.367392 4.32187 4.279246 4.239176 4.201368 4.165583 4.131614 4.099286 4.068447 4.038967 4.01073 3.991507 3.971276 3.949924 3.927321 3.903311 3.877707 3.850281 3.820756 3.788782 3.753916 3.715583 3.673016 3.625162 3.57052 3.50684 3.430528 3.335301 3.20858 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.01609e-10 5.61299e-10 5.363165000000001e-10 5.181654000000001e-10 5.039008e-10 4.921484e-10 4.821545e-10 4.734605e-10 4.657670999999999e-10 4.5886740000000004e-10 4.526128e-10 4.4689310000000005e-10 4.416238e-10 4.367392e-10 4.3218699999999996e-10 4.279246e-10 4.239176e-10 4.201368000000001e-10 4.165583e-10 4.131614e-10 4.099286e-10 4.068447e-10 4.0389670000000006e-10 4.0107299999999997e-10 3.9915070000000003e-10 3.971276e-10 3.9499240000000004e-10 3.9273210000000005e-10 3.903311e-10 3.877707e-10 3.850281e-10 3.820756e-10 3.788782e-10 3.753916e-10 3.7155830000000003e-10 3.673016e-10 3.6251620000000003e-10 3.5705200000000004e-10 3.50684e-10 3.430528e-10 3.335301e-10 3.20858e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.43889 1.55341 2.49571 3.25903 3.87719 4.37138 4.7602 5.06293 5.29863 5.48445 5.63139 5.75055 5.85253 5.94473 6.03151 6.11475 6.19445 6.26946 6.33794 6.39781 6.44703 6.48379 6.50662 6.5144 6.51045 6.49713 6.47187 6.43143 6.37175 6.28771 6.17283 6.01887 5.81524 5.54826 5.20041 4.74635 4.1463 3.334 2.18673 0.44987 -2.46329 -8.07816 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.03179297102912e-20 2.488837184516928e-19 3.998568214296768e-19 5.221541672485824e-19 6.211943172399553e-19 7.003722836632705e-19 7.626681150332161e-19 8.111708078746944e-19 8.489341108269504e-19 8.78705756794656e-19 9.022481400606912e-19 9.21339676674144e-19 9.376786738530624e-19 9.524507422968385e-19 9.663544310121409e-19 9.7969094920368e-19 9.924602968714561e-19 1.0044782237040768e-18 1.0154499292033153e-18 1.0250421606320447e-18 1.0329280739596225e-18 1.0388176752176833e-18 1.0424754444429695e-18 1.043721937853952e-18 1.043089078088736e-18 1.0409549788298305e-18 1.0369078806856896e-18 1.0304286784311744e-18 1.02086688835824e-18 1.0074021960370368e-18 9.889963910172866e-19 9.643292797634495e-19 9.317041572340993e-19 8.889292458119809e-19 8.331975320574528e-19 7.60449100413408e-19 6.64310492282304e-19 5.3416568537472e-19 3.503527682001984e-19 7.20771196399296e-20 -3.9466256482504323e-19 -1.294263909108173e-18 ] } }